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canSAR220430
FEATURES
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NAMES
    SMILES
    Cc1ccc(C2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)C2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1
    InChI
    InChI=1S/C27H26ClN3O5S/c1-17-4-6-18(7-5-17)25-24(36-27(33)19-8-11-21(12-9-19)31(34)35)26(32)30(15-14-29(2)3)22-13-10-20(28)16-23(22)37-25/h4-13,16,24-25H,14-15H2,1-3H3
    MOLECULAR FORMULA
    C27H26ClN3O5S
    CROSS REFERENCES
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    canSAR220430

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 539.13
    AlogP 5.52
    HBond donors 0
    HBond acceptors 8
    Atoms 63
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR220430.